SCHEMBL4549669

SCHEMBL4549669

COc1cc(CC(=O)N2CCN(CCc3ccc4c(c3C)COC4=O)CC2)c(Cl)cc1N

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.56
KCNJ1 P48048 13/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4549654 0.89 KCNJ1 (0.69) KCNH2KCNJ1
SCHEMBL15196790 0.88 KCNH2 (0.59) KCNH2KCNJ1
SCHEMBL4549695 0.85 KCNJ1 (0.59) KCNH2KCNJ1
SCHEMBL15196943 0.84 KCNH2 (0.58) KCNH2KCNJ1
SCHEMBL15196783 0.82 KCNH2 (0.65) KCNH2KCNJ1
SCHEMBL4549651 0.81 KCNJ1 (0.69) KCNH2KCNJ1
SCHEMBL4549696 0.79 KCNJ1 (0.81) KCNH2KCNJ1
SCHEMBL10233879 0.79 KCNJ1 (0.79) KCNH2KCNJ1
SCHEMBL15196945 0.77 KCNH2 (0.64) KCNH2KCNJ1
SCHEMBL15196780 0.77 KCNH2 (0.55) KCNH2KCNJ1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed